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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01204149

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.75
2AZN-(3-AMINOPROPYL)-N-[(R)-(3-BENZYL-
5-CHLORO-4-OXO-3,4-DIHYDROPYRROLO[2,1-
F][1,2,4]TRIAZIN-2-YL)(CYCLOPROPYL)METHYL]-
4-METHYLBENZAMIDE
A,B,D,E2GM10.73
5BN5-[(2-AMINOETHYL)AMINO]-6-FLUORO-
3-(1H-PYRROL-2-YL)BENZO[CD]INDOL-
2(1H)-ONE
A1P2A0.74
3733-(5-{[4-(AMINOMETHYL)PIPERIDIN-
1-YL]METHYL}-1H-INDOL-2-YL)QUINOLIN-
2(1H)-ONE
A2HXQ0.71
5672-[[(2R)-1-[[(2S)-5-amino-1-[(4-
carbamimidoylphenyl)methylamino]-
1,5-dioxo-pentan-2-yl]amino]-3-
(1H-indol-3-yl)-1-oxo-propan-2-
yl]sulfamoyl]ethanoic acid
H,L2ZWL0.7
4643-[5-({5-[(AMINOCARBONYL)AMINO]-
2-OXO-2H-INDOL-3-YL}METHYL)-1H-
PYRROL-3-YL]-N-(2-PIPERIDIN-1-YLETHYL)BENZAMIDE
A2PE20.74
0623-AZA-9-HYDROXY-9-FLUORENYLCARBONYL-
L-PROLYL-2-AMINOMETHYL-5-CHLOROBENZYLAMIDE, N-
OXIDE
A,B1ZRB0.74
2885-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL-
(2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}-
AMIDE
A,B1XOI0.73
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3C060.76
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3C0A0.76
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.73
33AN-BENZYL-4-[4-(3-CHLOROPHENYL)-
1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
A2OK10.74
33AN-BENZYL-4-[4-(3-CHLOROPHENYL)-
1H-PYRAZOL-3-YL]-1H-PYRROLE-2-CARBOXAMIDE
A2OJI0.74
274(3Z)-N-(3-CHLOROPHENYL)-3-({3,5-
DIMETHYL-4-[(4-METHYLPIPERAZIN-
1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)-
N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE
A2J7T0.7
3FR3'-chloro-5'-(3-methyl-6-{[(1S)-
1-phenylethyl]amino}-1H-pyrazolo[4,3-
c]pyridin-1-yl)biphenyl-2-carboxamide
A3DBD0.76
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
A3DBC0.72
2874-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-
5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-
f][1,2,4]triazine-6-carboxamide
A2RG60.71
170(2-[6-CHLORO-3-{[2,2-DIFLUORO-2-
(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-
2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO-
2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE
A,B1SL30.73
251N-[amino(imino)methyl]-2-(2,5-diphenyl-
1H-pyrrol-1-yl)acetamide
A2QU20.76
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.8
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL
A,B,C,D,E,F2P6G0.74
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.7